ChemSpider 2D Image | 3-Methoxy-2-thiophenecarbonyl isothiocyanate | C7H5NO2S2

3-Methoxy-2-thiophenecarbonyl isothiocyanate

  • Molecular FormulaC7H5NO2S2
  • Average mass199.250 Da
  • Monoisotopic mass198.976166 Da
  • ChemSpider ID36616641

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-Thiophenecarbonyl isothiocyanate, 3-methoxy- [ACD/Index Name]
3-Methoxy-2-thiophencarbonylisothiocyanat [German] [ACD/IUPAC Name]
3-Methoxy-2-thiophenecarbonyl isothiocyanate [ACD/IUPAC Name]
Isothiocyanate de 3-méthoxy-2-thiophènecarbonyle [French] [ACD/IUPAC Name]
1541505-85-4 [RN]
MFCD24051616

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 325.4±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.7±3.0 kJ/mol
Flash Point: 150.6±23.7 °C
Index of Refraction: 1.630
Molar Refractivity: 52.5±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.13
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 34.38
ACD/KOC (pH 5.5): 437.82
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 34.38
ACD/KOC (pH 7.4): 437.82
Polar Surface Area: 99 Å2
Polarizability: 20.8±0.5 10-24cm3
Surface Tension: 46.5±7.0 dyne/cm
Molar Volume: 147.5±7.0 cm3

Click to predict properties on the Chemicalize site


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